⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL150015 | 0.89 | — | — | |
| Water SCHEMBL28908591 | 0.89 | — | — | |
| Water SCHEMBL29169974 | 0.89 | — | — | |
| SCHEMBL28619918 | 0.89 | — | — | |
| Water SCHEMBL20838827 | 0.89 | — | — | |
| SCHEMBL3714025 | 0.80 | — | — | |
| SCHEMBL28089768 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL27937232 | 0.80 | — | — | |
| Ammonia Solution, Strong SCHEMBL27460668 | 0.80 | — | — | |
| SCHEMBL27478439 | 0.80 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1068829-A | Organometallic fluorenyl compounds and preparation thereof and application | PHILLIPS PETROLEUM CO (US) | 1993-02-10 | — | — | CN | claimed |
| CN-113185545-B | Benzylamino-containing side arm Shan Maodi quaternary metal complex and application thereof | 吉林大学 | 2022-11-29 | — | — | CN | disclosed |
| CN-113185545-A | Benzyl amino side arm-containing half-metallocene fourth subgroup metal complex and application thereof | 吉林大学 | 2021-07-30 | — | — | CN | disclosed |
| CN-1068829-A | Organometallic fluorenyl compounds and preparation thereof and application | PHILLIPS PETROLEUM CO (US) | 1993-02-10 | — | — | CN | disclosed |